⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL7937405 | 0.84 | — | — | |
| Valeric Acid SCHEMBL29873360 | 0.83 | — | — | |
| Hexanoate SCHEMBL21962884 | 0.77 | — | — | |
| Heptadecanoic Acid SCHEMBL31290818 | 0.75 | — | — | |
| Tridecanoate SCHEMBL29733481 | 0.75 | — | — | |
| Nonadecanoic Acid SCHEMBL31006756 | 0.75 | — | — | |
| Stearic Acid SCHEMBL5487757 | 0.75 | — | — | |
| Dodecanoate SCHEMBL15967439 | 0.75 | — | — | |
| Myristic Acid SCHEMBL29815928 | 0.75 | — | — | |
| Arachidic Acid SCHEMBL30673297 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |